9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole

C29H21NO — CID 58460616

IUPAC9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole
SMILESCOc1ccc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1
InChIInChI=1S/C29H21NO/c1-31-25-17-14-22-18-21(10-11-23(22)19-25)20-12-15-24(16-13-20)30-28-8-4-2-6-26(28)27-7-3-5-9-29(27)30/h2-19H,1H3
InChIKeyYXOWCJFHJJFFBN-UHFFFAOYSA-N
MW399.49 g/mol
LogP7.61
Rot. Bonds3

About 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole

9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole (PubChem CID 58460616) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole
PubChem CID58460616
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole
SMILESCOc1ccc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1
InChIInChI=1S/C29H21NO/c1-31-25-17-14-22-18-21(10-11-23(22)19-25)20-12-15-24(16-13-20)30-28-8-4-2-6-26(28)27-7-3-5-9-29(27)30/h2-19H,1H3
InChIKeyYXOWCJFHJJFFBN-UHFFFAOYSA-N
XLogP7.61
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole (CID 58460616) is 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole is COc1ccc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1.
What is the InChIKey of 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole?
The InChIKey is YXOWCJFHJJFFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-31-25-17-14-22-18-21(10-11-23(22)19-25)20-12-15-24(16-13-20)30-28-8-4-2-6-26(28)27-7-3-5-9-29(27)30/h2-19H,1H3.
What are the key properties of 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole?
9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole has a molecular weight of 399.49 g/mol, XLogP of 7.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(6-methoxynaphthalen-2-yl)phenyl]carbazole is sourced from PubChem (CID 58460616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).